SCHEMBL13990807

SCHEMBL13990807

CCOc1ccc(CC)c(OCC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
NQO1 P15559 1/20 0.52
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 2/20 0.46
ESR2 Q92731 1/20 0.46
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CYP1A2 P05177 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
MEN1 O00255 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7674855 0.88 KDM4E (0.53) KDM4ENQO1MAPTHSD17B10ESR2
SCHEMBL13634446 0.88 APLNR (0.50) KDM4ENQO1MAPTNPSR1L3MBTL1
SCHEMBL24075695 0.88 APLNR (0.50) KDM4ENQO1MAPTNPSR1L3MBTL1
SCHEMBL5252024 0.88 NQO1 (0.52) KDM4ENQO1MAPTHSD17B10ESR2
SCHEMBL6784748 0.84 KDM4E (0.53) KDM4ENQO1MAPTHSD17B10ESR2
SCHEMBL4618673 0.84 KDM4E (0.53) KDM4ENQO1MAPTL3MBTL1HSD17B10
SCHEMBL16770699 0.84 KDM4E (0.49) KDM4ENQO1MAPTHSD17B10ESR2
SCHEMBL1682636 0.83 KDM4E (0.49) KDM4ENQO1MAPTHSD17B10ESR2
SCHEMBL11047719 0.83 KDM4E (0.49) KDM4ENQO1MAPTHSD17B10ESR2
SCHEMBL326803 0.83 NQO1 (0.52) KDM4ENQO1MAPTNPSR1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 KDM4E 3386/4885NQO1 1815/4885MAPT 4160/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 KDM4E 1362/4885NQO1 602/4885MAPT 4191/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR KDM4E 2100/4885NQO1 717/4885MAPT 4087/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.